SCHEMBL9469562

SCHEMBL9469562

COCCOCC(CC1(C(=O)N[C@@H]2CCC[C@H](C(=O)O)C2)CCCC1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.81
BTK Q06187 1/20 0.38
EPHX2 P34913 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9469563 1.00 MME (0.81) MMEBTKEPHX2
SCHEMBL9469559 1.00 MME (0.81) MMEBTKEPHX2
Candoxatrilat SCHEMBL389959 0.90 MME (1.00) MME
Candoxatrilat SCHEMBL123669 0.90 MME (1.00) MME
Candoxatrilat SCHEMBL389958 0.90 MME (1.00) MME
Candoxatrilat SCHEMBL9469695 0.90 MME (1.00) MME
SCHEMBL9470086 0.89 MME (0.68) MMEEPHX2
SCHEMBL9470085 0.89 MME (0.68) MMEEPHX2
SCHEMBL9470089 0.89 MME (0.68) MMEEPHX2
SCHEMBL7449192 0.89 MME (0.84) MMEEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274234-B1 SPIRO-SUBSITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1991-09-11 EP claimed
EP-0274234-A2 Spiro-subsituted glutaramide diuretic agents Pfizer Limited (GB) 1988-07-13 EP claimed
US-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US disclosed
EP-0274234-B1 SPIRO-SUBSITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1991-09-11 EP disclosed
US-5030654-A Glutaramide diuretic agents PFIZER INC. (US) 1991-07-09 US disclosed
EP-0274234-A2 Spiro-subsituted glutaramide diuretic agents Pfizer Limited (GB) 1988-07-13 EP disclosed